Basic information
- CAS
90897-57-7- Standard SMILES
C=CC(=O)O.CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C- InChIKey
QNSICDYUWCQARX-GNAZCLTHSA-N- Molecular formula
- C14H20N2O4
- Average molar mass
- 280.32 g/mol
- Monoisotopic mass
- 280.14230712
Names & identifiers
- Preferred name
- (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one;prop-2-enoic acid
- IUPAC
- (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one;prop-2-enoic acid
Names & synonyms
90897-57-7DTXSID80920090Prop-2-enoic acid--3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]oxolan-2-one (1/1)Prop-2-enoic acid--(3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]oxolan-2-one (1/1)
Database identifiers
- CAS
90897-57-7- PubChem CID
- 185052
- DTXSID
DTXSID80920090
Properties
Computed structural properties
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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